SCHEMBL17629331

SCHEMBL17629331

CC1(C)OB(c2cc(C3CC3)cc(N3CCOCC3)c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
PIK3C3 Q8NEB9 4/20 0.34
CYP3A4 P08684 2/20 0.34
LGMN Q99538 1/20 0.33
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
FAAH O00519 2/20 0.31
CYP2C9 P11712 1/20 0.31
ABHD6 Q9BV23 1/20 0.30
OPRD1 P41143 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3758794 0.82 LPL (0.40) KDM4ELGMNMAPK1MEN1USP2
SCHEMBL1660361 0.81 LPL (0.40) MAPK1
SCHEMBL22290797 0.81 TSHR (0.33) ALDH1A1MAPTHSD17B10
SCHEMBL22290795 0.81 TSHR (0.33) ALDH1A1MAPTHSD17B10
SCHEMBL29925545 0.80 KDM4E (0.39) KDM4ELGMNMAPK1MEN1USP2
SCHEMBL27032333 0.80 KDM4E (0.39) KDM4ELGMNMAPK1MEN1USP2
SCHEMBL3758875 0.76 KDM4E (0.38) KDM4EMAPK1MEN1ALDH1A1MAPT
SCHEMBL31125907 0.76 KDM4E (0.38) KDM4EMAPK1MEN1ALDH1A1MAPT
SCHEMBL2037550 0.75 MAPT (0.44) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10209954 0.75 KMO (0.50) KDM4EMEN1ALDH1A1TP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
EP-3197895-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 EP disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists ITGAV, ITGB6, ITGB1 KDM4E 1943/4885PIK3C3 3168/4885CYP3A4 1917/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 KDM4E 2115/4885PIK3C3 3311/4885CYP3A4 2750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.